SCHEMBL21865636

SCHEMBL21865636

CCN(CCN(C)c1cc(Cl)ccc1CO)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.45
PSEN2 P49810 18/20 0.45
APH1B Q8WW43 18/20 0.45
NCSTN Q92542 18/20 0.45
APH1A Q96BI3 18/20 0.45
PSENEN Q9NZ42 18/20 0.45
AHCY P23526 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21865614 0.92 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21865620 0.90 AHCY (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21865632 0.90 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21865619 0.82 AHCY (0.40) AHCY
SCHEMBL21865763 0.82 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21865761 0.80 AHCY (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21865383 0.77 AHCY (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21865385 0.76 AHCY (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28368453 0.76 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21865570 0.75 AHCY (0.40) AHCY

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020052509-A1 SULFONAMIDE COMPOUND SERVING AS SODIUM CHANNEL BLOCKER AND USES THEREOF 成都康弘药业集团股份有限公司 2020-03-19 WO disclosed